scholarly journals Frontiers in Crystallography with Synchrotron Radiation. Towards the Next Generation. Future View of X-Ray Crystallography Using SPring-8.

1997 ◽  
Vol 39 (1) ◽  
pp. 138-142
Author(s):  
Takamitsu YAMANAKA
2020 ◽  
Vol 15 (01) ◽  
pp. C01040-C01040
Author(s):  
P. Fajardo ◽  
P. Busca ◽  
F. Erdinger ◽  
P. Fischer ◽  
M. Ruat ◽  
...  

2017 ◽  
Vol 100 (1) ◽  
pp. 25-44 ◽  
Author(s):  
Terence J. Kemp ◽  
Nathaniel W. Alcock

The developments in crystallography, since it was first covered in Science Progress in 1917, following the formulation of the Bragg equation, are described. The advances in instrumentation and data analysis, coupled with the application of computational methods to data analysis, have enabled the solution of molecular structures from the simplest binary systems to the most complex of biological structures. These developments are shown to have had major impacts in the development of chemical bonding theory and in offering an increasing understanding of enzyme–substrate interactions. The advent of synchrotron radiation sources has opened a new chapter in this multi-disciplinary field of science.


Author(s):  
U. W. Arndt

This paper deals with the very great changes in X–ray crystallographic techniques and apparatus over a period of approximately the last 60 years. This is not a general history; it is a personal account of the developments with which I have been directly involved; it is, therefore, biased towards apparatus developments in the field of macromolecular crystallography in which I have worked during most of this period. The bias needs little excuse: many of the new techniques of X–ray crystallography were devised initially for large–molecule structure determinations which had most need of such advances in order to be feasible at all. Among them are the uses of computers in calculating electron density maps, the construction of automatic diffractometers and microdensitometers, the introduction of rotating-anode X–ray generators and of microfocus X–ray tubes, the development of electronic X–ray area detectors, the pioneering work on the use of synchrotron radiation for diffraction studies, the building of three–dimensional atomic models by computer and the complete automation of the mounting, selection and alignment of crystals on the diffractometer.


2018 ◽  
Vol 74 (2) ◽  
pp. 152-166 ◽  
Author(s):  
Jonathan M. Grimes ◽  
David R. Hall ◽  
Alun W. Ashton ◽  
Gwyndaf Evans ◽  
Robin L. Owen ◽  
...  

Macromolecular crystallography (MX) has been a motor for biology for over half a century and this continues apace. A series of revolutions, including the production of recombinant proteins and cryo-crystallography, have meant that MX has repeatedly reinvented itself to dramatically increase its reach. Over the last 30 years synchrotron radiation has nucleated a succession of advances, ranging from detectors to optics and automation. These advances, in turn, open up opportunities. For instance, a further order of magnitude could perhaps be gained in signal to noise for general synchrotron experiments. In addition, X-ray free-electron lasers offer to capture fragments of reciprocal space without radiation damage, and open up the subpicosecond regime of protein dynamics and activity. But electrons have recently stolen the limelight: so is X-ray crystallography in rude health, or will imaging methods, especially single-particle electron microscopy, render it obsolete for the most interesting biology, whilst electron diffraction enables structure determination from even the smallest crystals? We will lay out some information to help you decide.


2022 ◽  
Vol 17 (01) ◽  
pp. C01037
Author(s):  
M. Collonge ◽  
P. Busca ◽  
P. Fajardo ◽  
M. Williams

Abstract This work presents the first simulation results of the incremental digital integration readout, a charge-integrating front-end scheme with in-pixel digitisation and accumulation. This novel readout concept is at the core of the XIDer (X-ray Integrating Detector) project, which aims to design 2D pixelated X-ray detectors optimised for high energy scattering and diffraction applications for the next generation of synchrotron radiation sources such as the ESRF Extremely Brilliant Source (EBS). The digital integration readout and the XIDer detector open the possibilities for high-duty-cycle operation under very high photon flux, fast frame-rate and high dynamic range with single-photon sensitivity in the 30–100 keV energy range. The readout method allows for noise-free effective X-ray detection. The digital integration concept is currently under investigation to evaluate the impact of main critical design parameters to identify the strengths and weaknesses of the readout scheme and consequently to propose refinements in the final implementation. Simulations have been performed with a dedicated Monte Carlo simulation tool, X-DECIMO, a modular Python package designed to recreate the complete detection chain of X-ray detectors for synchrotron radiation experiments. Losses and non-linearities of the readout scheme are simulated and quantified. In addition to presenting simulation results for this novel readout scheme, this work underlines the potential of the approach and some of its limitations.


Author(s):  
V. Ramakrishnan

The remarkable advances in structural biology in the past three decades have led to the determination of increasingly complex structures that lie at the heart of many important biological processes. Many of these advances have been made possible by the use of X-ray crystallography using synchrotron radiation. In this short article, some of the challenges and prospects that lie ahead will be summarized.


2017 ◽  
Vol 70 (9) ◽  
pp. 973
Author(s):  
Manzar Sohail ◽  
Farooq Ahmad Kiani ◽  
Vedapriya Pandarinathan ◽  
Safyan Akram Khan ◽  
Damien J. Carter ◽  
...  

The transformation of cadmium 7,7,8,8-tetracyanoquinodimethane (TCNQ) into a cadmium terephthalate co-ordination polymer is reported, with the chemistry of this material elucidated using elemental analysis, X-ray photoelectron spectroscopy and synchrotron radiation single-crystal X-ray diffraction. A heptacoordinated CdII linear coordination polymer catena-poly[triaqua-(μ2-benzene-1,4-dicarboxylato-κO,O′)cadmium(ii)]hydrate (1) was isolated while attempting to recrystallize Cd(TCNQ)2. Density functional theory calculations for the oxidation of benzylic carbon attached to the cyano group provided evidence that the reaction pathway proposed herein is highly exergonic and thermodynamically plausible. This structure showed a distorted pentagonal bipyramidal geometry together with a symmetrical mononuclear unit in which each CdII ion is doubly bridged by a dicarboxylato anion. Owing to the softness and minute size of these crystals, this structure had to be elucidated using synchrotron radiation X-ray crystallography.


Author(s):  
Marek Grabowski ◽  
David R. Cooper ◽  
Dariusz Brzezinski ◽  
Joanna M. Macnar ◽  
Ivan G. Shabalin ◽  
...  

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